UCSF

ZINC58707207

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2011 15 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.85 5.1 -3.77 2 3 0 38 208.305 5
Mid Mid (pH 6-8) 1.85 4.76 -26.26 3 3 1 40 209.313 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )